3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine

C10H16F3N3OS — CID 65273980

IUPAC3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3OS/c1-9(2,3)7-15-8(18-16-7)14-4-5-17-6-10(11,12)13/h4-6H2,1-3H3,(H,14,15,16)
InChIKeyPLQFUCQMUQFMHH-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.83
Rot. Bonds5

About 3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65273980) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65273980
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3OS/c1-9(2,3)7-15-8(18-16-7)14-4-5-17-6-10(11,12)13/h4-6H2,1-3H3,(H,14,15,16)
InChIKeyPLQFUCQMUQFMHH-UHFFFAOYSA-N
XLogP2.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine (CID 65273980) is 3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is PLQFUCQMUQFMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-9(2,3)7-15-8(18-16-7)14-4-5-17-6-10(11,12)13/h4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 283.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).